Ossamycin; 28-Methyl, 19-deoxy, 18,19-didehydro

AlkaPlorer ID: AK053663

Synonym: Dunaimycin D3S

IUPAC Name: 17-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-15,16,18,20,21-pentahydroxy-6'-(2-hydroxybutyl)-5,5,5',15,19,21,30-heptamethylspiro[4,25,29-trioxatricyclo[24.3.1.03,7]triaconta-3(7),8,22-triene-28,2'-oxane]-24-one

Structure

SMILES: CCC(O)CC1OC2(CCC1C)CC1OC(=O)C=CC(C)(O)C(O)C(C)C(O)C(OC3CCC(N(C)C)C(C)O3)C(O)C(C)(O)CCCCCC=CC3=C(CC(O2)C1C)OC(C)(C)C3

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InChI: InChI=1S/C50H85NO13/c1-12-35(52)26-37-30(2)21-25-50(63-37)29-40-31(3)38(64-50)27-39-34(28-47(6,7)62-39)18-16-14-13-15-17-23-48(8,57)46(56)44(61-42-20-19-36(51(10)11)33(5)59-42)43(54)32(4)45(55)49(9,58)24-22-41(53)60-40/h16,18,22,24,30-33,35-38,40,42-46,52,54-58H,12-15,17,19-21,23,25-29H2,1-11H3

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InChIKey: ODPNYVDJGJMCDE-UHFFFAOYSA-N

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Reference

PubChem CID: 76373994

COCONUT: CNP0308049

Properties Information

Molecule Weight: 908.2239999999996

TPSA: 197.07

MolLogP: 5.976400000000005

Number of H-Donors: 6

Number of H-Acceptors: 14

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information